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Message #00029
[Bug 1348721] [NEW] abinit_write_header writes a wrong charge when NLCC is present
Public bug reported:
The abinit_write_header routine of abinit_util.c writes zero charges and
control sums when the pseudopotential has non-linear core correction
(NLCC). How hard would it be to provide relevant values?
** Affects: libpspio
Importance: Undecided
Status: New
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https://bugs.launchpad.net/bugs/1348721
Title:
abinit_write_header writes a wrong charge when NLCC is present
Status in Libpspio pseudopotential I/O library:
New
Bug description:
The abinit_write_header routine of abinit_util.c writes zero charges
and control sums when the pseudopotential has non-linear core
correction (NLCC). How hard would it be to provide relevant values?
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